ChemSpider 2D Image | Ethyl cis-4-hydroxycyclohexanecarboxylate | C9H16O3

Ethyl cis-4-hydroxycyclohexanecarboxylate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID28536909

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

cis-4-Hydroxycyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis- [ACD/Index Name]
Ethyl cis-4-hydroxycyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-cis-4-hydroxycyclohexancarboxylat [German] [ACD/IUPAC Name]
[75877-66-6] [RN]
75877-66-6 [RN]
cis-4-?hydroxy-Cyclohexanecarboxyli?c acid?, ethyl ester
cis-4-hydroxycyclohexanecarboxylate
cis-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
cis-Ethyl 4-hydroxycyclohexanecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 251.4±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±6.0 kJ/mol
    Flash Point: 100.2±18.2 °C
    Index of Refraction: 1.481
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 6.44
    ACD/KOC (pH 5.5): 131.97
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 6.44
    ACD/KOC (pH 7.4): 131.97
    Polar Surface Area: 47 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 157.6±3.0 cm3

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